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how to use *.RST.tar Date: 2005/03/26 17:48 Name: s. j. luo   <sjluo@phys.ntu.edu.tw> Hi, The SCF iteration is finished when the SCF criterion is not satisfied,I want to continue the SCf calculations by using *.RST.tar in order to save time.Could you tell me how to use *.RST.tar! Thank you in advance! luo

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Re: how to use *.RST.tar ( No.1 ) Date: 2005/03/26 21:18 Name: T.Ozaki Hi, After getting the restart file, you can restart with the *.RST.tar file by setting the following keyword in your input file: scf.restart on # on|off,default=off In this restart, "System.Name" must be consistent with * (for *.RST.tar). Then, OpenMX reads the *.RST.tar file (which stores Hamiltonian elements at the final SCF step in the previous calculation), and begins the calculation with the Hamiltonian elements. Regards, T.Ozaki

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